(Q56813616)

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Basis-set convergence in correlated calculations on Ne, N2, and H2O

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Basis-set convergence in correlated calculations on Ne, N2, and H2O (English)

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Henrik Koch

5

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Wim Klopper

object named as

Wim Klopper

series ordinal

4

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Trygve Ulf Helgaker

object named as

Trygve Helgaker

series ordinal

2

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Angela K. Wilson

series ordinal

7

object named as

Angela K. Wilson

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Poul Jørgensen

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3

object named as

Poul Jørgensen

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author name string

Asger Halkier

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1

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Jeppe Olsen

series ordinal

6

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publication date

April 1998

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published in

Chemical Physics Letters

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volume

286

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issue

3-4

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page(s)

243-252

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cites work

Ab initio total atomization energies of small molecules — towards the basis set limit

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reference URL

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retrieved

7 January 2021

Benchmark quality total atomization energies of small polyatomic molecules

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reference URL

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7 January 2021

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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reference URL

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retrieved

7 January 2021

Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

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https://api.crossref.org/works/10.1016%2FS0009-2614%2898%2900111-0

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7 January 2021

Basis-set convergence of correlated calculations on water

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https://api.crossref.org/works/10.1016%2FS0009-2614%2898%2900111-0

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7 January 2021

A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model

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https://api.crossref.org/works/10.1016%2FS0009-2614%2898%2900111-0

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7 January 2021

The integral‐direct coupled cluster singles and doubles model

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https://api.crossref.org/works/10.1016%2FS0009-2614%2898%2900111-0

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7 January 2021

The molecular structure of ferrocene

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https://api.crossref.org/works/10.1016%2FS0009-2614%2898%2900111-0

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7 January 2021

Computation of the second-order correlation energies of Ne using a finite-element method.

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reference URL

https://api.crossref.org/works/10.1016%2FS0009-2614%2898%2900111-0

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7 January 2021

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10.1016/S0009-2614(98)00111-0

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(Q56813616)

Basis-set convergence in correlated calculations on Ne, N2, and H2O

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